Structure of PDB 8flm Chain C Binding Site BS02

Receptor Information
>8flm Chain C (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLHPSIPCPRGHGAQKAALVLLSACLVTLWGLGEPPEHTLRYLVLHLAS
LQLGLLLNGVCSLAEELRHIHSRYRGSYWRTVRACLGCPLRRGALLLLSI
YFYYSLPPFTWMLALLGLSQALNILLGLKGLAPAEISAVCEKGNFNVAHG
LAWSYYIGYLRLILPELQARIRTYNQHYGAVSQRLYILLPLDCGVPDNLS
MADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYAT
PLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIA
YQEPSFSLSQEVLRHLRQ
Ligand information
Ligand ID9IM
InChIInChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33)
InChIKeyOEBVYNULNKSONR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C
CACTVS 3.385CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c3cc(ccc13)C(=O)NCc4c(F)cc(F)cc4F
ACDLabs 12.01Fc1cc(F)cc(F)c1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C
FormulaC25 H19 Cl F4 N2 O2
Name1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide
ChEMBLCHEMBL4743888
DrugBank
ZINC
PDB chain8flm Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8flm Activation of human STING by a molecular glue-like compound.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y46 Y106 L124
Binding residue
(residue number reindexed from 1)		Y43 Y103 L116
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0015252 proton channel activity
GO:0019901 protein kinase binding
GO:0031625 ubiquitin protein ligase binding
GO:0035438 cyclic-di-GMP binding
GO:0035591 signaling adaptor activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0061507 2',3'-cyclic GMP-AMP binding
GO:0061629 RNA polymerase II-specific DNA-binding transcription factor binding
Biological Process
GO:0000045 autophagosome assembly
GO:0002218 activation of innate immune response
GO:0002221 pattern recognition receptor signaling pathway
GO:0002230 positive regulation of defense response to virus by host
GO:0002753 cytoplasmic pattern recognition receptor signaling pathway
GO:0006914 autophagy
GO:0010468 regulation of gene expression
GO:0016239 positive regulation of macroautophagy
GO:0032092 positive regulation of protein binding
GO:0032481 positive regulation of type I interferon production
GO:0032728 positive regulation of interferon-beta production
GO:0034220 monoatomic ion transmembrane transport
GO:0035458 cellular response to interferon-beta
GO:0045087 innate immune response
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0050727 regulation of inflammatory response
GO:0051091 positive regulation of DNA-binding transcription factor activity
GO:0051259 protein complex oligomerization
GO:0051607 defense response to virus
GO:0060340 positive regulation of type I interferon-mediated signaling pathway
GO:0061709 reticulophagy
GO:0070972 protein localization to endoplasmic reticulum
GO:0071360 cellular response to exogenous dsRNA
GO:0071407 cellular response to organic cyclic compound
GO:0140374 antiviral innate immune response
GO:0140896 cGAS/STING signaling pathway
GO:1902600 proton transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0000421 autophagosome membrane
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005768 endosome
GO:0005776 autophagosome
GO:0005777 peroxisome
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0030667 secretory granule membrane
GO:0031410 cytoplasmic vesicle
GO:0033116 endoplasmic reticulum-Golgi intermediate compartment membrane
GO:0048471 perinuclear region of cytoplasm
GO:1902554 serine/threonine protein kinase complex
GO:1990231 STING complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8flm, PDBe:8flm, PDBj:8flm
PDBsum8flm
PubMed37828400
UniProtQ86WV6|STING_HUMAN Stimulator of interferon genes protein (Gene Name=STING1)

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